N-(4-bromophenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
N-(4-bromophenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | M435-1260 |
| Compound Name: | N-(4-bromophenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 419.29 |
| Molecular Formula: | C18 H15 Br N2 O3 S |
| Smiles: | C1CCc2c(C1)c1C(=C(C(Nc3ccc(cc3)[Br])=O)C(Nc1s2)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.7856 |
| logD: | 0.1044 |
| logSw: | -4.2772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.101 |
| InChI Key: | DXOXCKIPGXLISE-UHFFFAOYSA-N |